3-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]ammonio]propyl-dimethyl-ammonium Formula: C15H24N2O4+2 MolecularWeight: 296.36206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C1C2=C(C(=C(C=C2)OC)OC)C(=O)O1

Isomeric SMILES

C[NH+](C)CCC[NH2+][C@H]1C2=C(C(=C(C=C2)OC)OC)C(=O)O1

InChI

InChI=1S/C15H22N2O4/c1-17(2)9-5-8-16-14-10-6-7-11(19-3)13(20-4)12(10)15(18)21-14/h6-7,14,16H,5,8-9H2,1-4H3/p+2/t14-/m1/s1